N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide

C25H35N3O3 — CID 8597756

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C25H35N3O3/c1-5-28(18-22-9-10-23(30-3)24(16-22)31-4)25(29)19-27-13-11-26(12-14-27)17-21-8-6-7-20(2)15-21/h6-10,15-16H,5,11-14,17-19H2,1-4H3
InChIKeyAHVYIBLGROQFCD-UHFFFAOYSA-N
MW425.57 g/mol
LogP3.18
Rot. Bonds9

About N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 8597756) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID8597756
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C25H35N3O3/c1-5-28(18-22-9-10-23(30-3)24(16-22)31-4)25(29)19-27-13-11-26(12-14-27)17-21-8-6-7-20(2)15-21/h6-10,15-16H,5,11-14,17-19H2,1-4H3
InChIKeyAHVYIBLGROQFCD-UHFFFAOYSA-N
XLogP3.18
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8596284
1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 1148322
N-methoxy-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 54306558
2-(4-benzylpiperazin-1-yl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 30863225
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 3-methylbenzoate
CID 9290533
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 33073903
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8721129
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
methyl 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]benzoate
CID 8721345
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 8721089
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725618
methyl (2S,3S)-2-[[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]-3-methylpentanoate
CID 8872122

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide (CID 8597756) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CCN(Cc2cccc(C)c2)CC1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is AHVYIBLGROQFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-5-28(18-22-9-10-23(30-3)24(16-22)31-4)25(29)19-27-13-11-26(12-14-27)17-21-8-6-7-20(2)15-21/h6-10,15-16H,5,11-14,17-19H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 425.57 g/mol, XLogP of 3.18, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8597756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).